3-methoxy-N-[5-methyl-3-[1-oxo-1-(propan-2-ylamino)butan-2-yl]-1,3-thiazol-2-ylidene]benzamide

C19H25N3O3S — CID 46137162

IUPAC3-methoxy-N-[5-methyl-3-[1-oxo-1-(propan-2-ylamino)butan-2-yl]-1,3-thiazol-2-ylidene]benzamide
SMILESCCC(C(=O)NC(C)C)n1cc(C)s/c1=N\C(=O)c1cccc(OC)c1
InChIInChI=1S/C19H25N3O3S/c1-6-16(18(24)20-12(2)3)22-11-13(4)26-19(22)21-17(23)14-8-7-9-15(10-14)25-5/h7-12,16H,6H2,1-5H3,(H,20,24)/b21-19-
InChIKeySEVLDJVLTVSFPQ-VZCXRCSSSA-N
MW375.49 g/mol
LogP3.08
Rot. Bonds6

About 3-methoxy-N-[5-methyl-3-[1-oxo-1-(propan-2-ylamino)butan-2-yl]-1,3-thiazol-2-ylidene]benzamide

3-methoxy-N-[5-methyl-3-[1-oxo-1-(propan-2-ylamino)butan-2-yl]-1,3-thiazol-2-ylidene]benzamide (PubChem CID 46137162) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-methoxy-N-[5-methyl-3-[1-oxo-1-(propan-2-ylamino)butan-2-yl]-1,3-thiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[5-methyl-3-[1-oxo-1-(propan-2-ylamino)butan-2-yl]-1,3-thiazol-2-ylidene]benzamide
PubChem CID46137162
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name3-methoxy-N-[5-methyl-3-[1-oxo-1-(propan-2-ylamino)butan-2-yl]-1,3-thiazol-2-ylidene]benzamide
SMILESCCC(C(=O)NC(C)C)n1cc(C)s/c1=N\C(=O)c1cccc(OC)c1
InChIInChI=1S/C19H25N3O3S/c1-6-16(18(24)20-12(2)3)22-11-13(4)26-19(22)21-17(23)14-8-7-9-15(10-14)25-5/h7-12,16H,6H2,1-5H3,(H,20,24)/b21-19-
InChIKeySEVLDJVLTVSFPQ-VZCXRCSSSA-N
XLogP3.08
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1,3-thiazol-2-ylidene]-3-methoxybenzamide
CID 91634666
N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide
CID 40885171
N-[4,5-dimethyl-3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]-3-methoxybenzamide
CID 97413846
3-methoxy-N-(4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2151285
ethyl 2-[2-(3-methoxybenzoyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 40697718
2-(3-methoxyphenyl)-2-oxo-N-propan-2-ylacetamide
CID 82114479
methyl 3-[[3-(1-ethoxy-1-oxobutan-2-yl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate
CID 142713478
N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide
CID 41149476
methyl 3-[6-methoxy-2-(3-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate
CID 8612382
2-(3-methoxyphenoxy)-N-propan-2-ylacetamide
CID 4149029
methyl 2-[6-bromo-2-(3-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 4547054
3-butoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3711055

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[5-methyl-3-[1-oxo-1-(propan-2-ylamino)butan-2-yl]-1,3-thiazol-2-ylidene]benzamide?
The IUPAC name of 3-methoxy-N-[5-methyl-3-[1-oxo-1-(propan-2-ylamino)butan-2-yl]-1,3-thiazol-2-ylidene]benzamide (CID 46137162) is 3-methoxy-N-[5-methyl-3-[1-oxo-1-(propan-2-ylamino)butan-2-yl]-1,3-thiazol-2-ylidene]benzamide.
What is the SMILES notation for 3-methoxy-N-[5-methyl-3-[1-oxo-1-(propan-2-ylamino)butan-2-yl]-1,3-thiazol-2-ylidene]benzamide?
The canonical SMILES for 3-methoxy-N-[5-methyl-3-[1-oxo-1-(propan-2-ylamino)butan-2-yl]-1,3-thiazol-2-ylidene]benzamide is CCC(C(=O)NC(C)C)n1cc(C)s/c1=N\C(=O)c1cccc(OC)c1.
What is the InChIKey of 3-methoxy-N-[5-methyl-3-[1-oxo-1-(propan-2-ylamino)butan-2-yl]-1,3-thiazol-2-ylidene]benzamide?
The InChIKey is SEVLDJVLTVSFPQ-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-6-16(18(24)20-12(2)3)22-11-13(4)26-19(22)21-17(23)14-8-7-9-15(10-14)25-5/h7-12,16H,6H2,1-5H3,(H,20,24)/b21-19-.
What are the key properties of 3-methoxy-N-[5-methyl-3-[1-oxo-1-(propan-2-ylamino)butan-2-yl]-1,3-thiazol-2-ylidene]benzamide?
3-methoxy-N-[5-methyl-3-[1-oxo-1-(propan-2-ylamino)butan-2-yl]-1,3-thiazol-2-ylidene]benzamide has a molecular weight of 375.49 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-methyl-3-[1-oxo-1-(propan-2-ylamino)butan-2-yl]-1,3-thiazol-2-ylidene]benzamide is sourced from PubChem (CID 46137162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).